4-(5-methyl-2H-pyrrol-3-yl)piperidine

C10H16N2 — CID 58578256

IUPAC4-(5-methyl-2H-pyrrol-3-yl)piperidine
SMILESCC1=NCC(C2CCNCC2)=C1
InChIInChI=1S/C10H16N2/c1-8-6-10(7-12-8)9-2-4-11-5-3-9/h6,9,11H,2-5,7H2,1H3
InChIKeyOWTIDJLDXODRJA-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.39
Rot. Bonds1

About 4-(5-methyl-2H-pyrrol-3-yl)piperidine

4-(5-methyl-2H-pyrrol-3-yl)piperidine (PubChem CID 58578256) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(5-methyl-2H-pyrrol-3-yl)piperidine.

Molecular Properties

Compound Name4-(5-methyl-2H-pyrrol-3-yl)piperidine
PubChem CID58578256
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(5-methyl-2H-pyrrol-3-yl)piperidine
SMILESCC1=NCC(C2CCNCC2)=C1
InChIInChI=1S/C10H16N2/c1-8-6-10(7-12-8)9-2-4-11-5-3-9/h6,9,11H,2-5,7H2,1H3
InChIKeyOWTIDJLDXODRJA-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride
CID 161322609
4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine
CID 161322610
2-Methyl-2-piperidin-4-ylbenzimidazole
CID 21268299
N-methyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 56997506
2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N-methylethanamine
CID 57000243
6-Piperidin-4-yl-2,5-dihydropyridine
CID 57184087
N-ethyl-2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57232949
2-Piperidin-4-ylpyrrol-2-amine
CID 57461956
carbanide;4-(5-methyl-2H-pyrrol-3-yl)piperidin-1-ide;tungsten(2+)
CID 58578255
3-piperidin-4-yl-5,6-dihydro-1H-isoindole
CID 58690582
2-piperidin-4-yl-2H-indole
CID 69374500

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2H-pyrrol-3-yl)piperidine?
The IUPAC name of 4-(5-methyl-2H-pyrrol-3-yl)piperidine (CID 58578256) is 4-(5-methyl-2H-pyrrol-3-yl)piperidine.
What is the SMILES notation for 4-(5-methyl-2H-pyrrol-3-yl)piperidine?
The canonical SMILES for 4-(5-methyl-2H-pyrrol-3-yl)piperidine is CC1=NCC(C2CCNCC2)=C1.
What is the InChIKey of 4-(5-methyl-2H-pyrrol-3-yl)piperidine?
The InChIKey is OWTIDJLDXODRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-6-10(7-12-8)9-2-4-11-5-3-9/h6,9,11H,2-5,7H2,1H3.
What are the key properties of 4-(5-methyl-2H-pyrrol-3-yl)piperidine?
4-(5-methyl-2H-pyrrol-3-yl)piperidine has a molecular weight of 164.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2H-pyrrol-3-yl)piperidine is sourced from PubChem (CID 58578256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).